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Ligand

NameCHEMBL40412
Molecular formulaC16H21IN2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(3-iodoanilino)propan-2-ol
Molecular weight400.26
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50064227
Dicyclopropyl ketone O-[2-hydroxy-3-[(3-iodophenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-[2-hydroxy-3-(3-iodo-phenylamino)-propyl]-oxime
Inchi KeyGMZATGRCGRFPLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21IN2O2/c17-13-2-1-3-14(8-13)18-9-15(20)10-21-19-16(11-4-5-11)12-6-7-12/h1-3,8,11-12,15,18,20H,4-7,9-10H2
PubChem CID10525002
ChEMBLCHEMBL40412
IUPHARN/A
BindingDB50064227
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
100359Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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